Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C9H10O3/c1-6-3-8(11)5-9(4-6)12-7(2)10/h3-5,11H,1-2H3
SMILES	CC(=O)Oc1cc(C)cc(c1)O
InChI Key	WNNFOAQKFKIJQP-UHFFFAOYSA-N
Exact Mass	166.174 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/WNNFOAQKFKIJQP-UHFFFAOYSA-N/CHMO0000595
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:15:37.116528
MetadataModified	2024-09-23T09:20:42.902833
MetadataPublished	2024-01-19

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : SG-v4016 (8-15) Date : 20231106 Start time : 23.33 h Instrument : spect Label : SG-3399 ID : 281949 Solvent : chloroform-D1 (CDCl3)